MolNFT v1 · #182884 · protein
Crystal structure of fosb from enterococcus faecium with fosfomycin
7N7G · Metallothiol transferase fosb: “Crystal structure of fosb from enterococcus faecium with fosfomycin”. X-ray diffraction, 2 ligands (FCN, MN), 3 pockets (best druggability 0.83). MolNFT v1 #182884 on GenesisL1: 3D structure, binding…
- PDB
- 7N7G
- Type
- protein
- Length
- 271 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallothiol transferase fosb
- UniProt
- F1C939
- Ligands
- FCN, MN
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallothiol transferase fosb | protein | 138 | 30% helix, 33% strand | F1C939 |
| B | Metallothiol transferase fosb | protein | 133 | 29% helix, 35% strand | F1C939 |
Ligands and binding sites
- FCN · Fosfomycin · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 219 | 0.83 | 0.96 | 32 | empty |
| 2 | 103 | 0.47 | 0.80 | 22 | MN, FCN |
| 3 | 53 | 0.38 | 0.81 | 16 | FCN |
Interfaces
1 interface between chains.
- A–B · 2749 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 7N7G · Crystal Structure of FosB from Enterococcus faecium with Fosfomycin · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt F1C939
- Elsewhere: RCSB PDB 7N7G · PDBe 7N7G · UniProt F1C939
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